tert-butyl N-[1-(4-iodophenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-(4-iodophenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]carbamate Openeye Name: tert-butyl N-[1-(4-iodophenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]carbamate CAS Name: N-[1-(4-iodophenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(4-iodophenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]carbamate Traditional Name: N-[1-(4-iodophenyl)-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]carbamic acid tert-butyl ester Formula: C21H23IN2O3 MolecularWeight: 478.32339

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCC2=CC=CC=C2N(C1=O)C3=CC=C(C=C3)I

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCC2=CC=CC=C2N(C1=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C21H23IN2O3/c1-21(2,3)27-20(26)23-17-13-8-14-6-4-5-7-18(14)24(19(17)25)16-11-9-15(22)10-12-16/h4-7,9-12,17H,8,13H2,1-3H3,(H,23,26)